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85586-64-7 | 5-[(4-AMINOPHENYL)METHYL]-4-METHYLBENZENE-1,3-DIAMINE
CAS No: 85586-64-7 Catalog No: AG004QI1 MDL No:
Product Description
Catalog Number:
AG004QI1
Chemical Name:
5-[(4-AMINOPHENYL)METHYL]-4-METHYLBENZENE-1,3-DIAMINE
CAS Number:
85586-64-7
Molecular Formula:
C14H17N3
Molecular Weight:
227.3049
IUPAC Name:
5-[(4-aminophenyl)methyl]-4-methylbenzene-1,3-diamine
InChI:
InChI=1S/C14H17N3/c1-9-11(7-13(16)8-14(9)17)6-10-2-4-12(15)5-3-10/h2-5,7-8H,6,15-17H2,1H3
InChI Key:
JSBKXGRKPLOAKP-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1cc(N)cc(c1C)N
EC Number:
287-869-1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.311g/mol
Monoisotopic Mass:
227.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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